[2-(azetidine-1-carbonyl)-5-[5-[(3,4-dichlorophenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2,7-diazaspiro[3.4]octan-7-yl]-(1,3-thiazol-5-yl)methanone

C23H20Cl2F2N6O3S — CID 170755764

About [2-(azetidine-1-carbonyl)-5-[5-[(3,4-dichlorophenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2,7-diazaspiro[3.4]octan-7-yl]-(1,3-thiazol-5-yl)methanone

[2-(azetidine-1-carbonyl)-5-[5-[(3,4-dichlorophenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2,7-diazaspiro[3.4]octan-7-yl]-(1,3-thiazol-5-yl)methanone (PubChem CID 170755764) has the molecular formula C23H20Cl2F2N6O3S and a molecular weight of 569.42 g/mol. Its IUPAC name is [2-(azetidine-1-carbonyl)-5-[5-[(3,4-dichlorophenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2,7-diazaspiro[3.4]octan-7-yl]-(1,3-thiazol-5-yl)methanone.

Molecular Properties

• Compound Name: [2-(azetidine-1-carbonyl)-5-[5-[(3,4-dichlorophenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2,7-diazaspiro[3.4]octan-7-yl]-(1,3-thiazol-5-yl)methanone
• PubChem CID: 170755764
• Molecular Formula: C23H20Cl2F2N6O3S
• Molecular Weight: 569.42 g/mol
• Exact Mass: 568.07
• IUPAC Name: [2-(azetidine-1-carbonyl)-5-[5-[(3,4-dichlorophenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2,7-diazaspiro[3.4]octan-7-yl]-(1,3-thiazol-5-yl)methanone
• SMILES: O=C(c1cncs1)N1CC(c2nnc(C(F)(F)c3ccc(Cl)c(Cl)c3)o2)C2(C1)CN(C(=O)N1CCC1)C2
• InChI: InChI=1S/C23H20Cl2F2N6O3S/c24-15-3-2-13(6-16(15)25)23(26,27)20-30-29-18(36-20)14-8-32(19(34)17-7-28-12-37-17)9-22(14)10-33(11-22)21(35)31-4-1-5-31/h2-3,6-7,12,14H,1,4-5,8-11H2
• InChIKey: NCYUHHJQIIEQHF-UHFFFAOYSA-N
• XLogP: 4.34
• TPSA: 95.67 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	569.42
LogP ≤ 5	4.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [2-(azetidine-1-carbonyl)-5-[5-[(3,4-dichlorophenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2,7-diazaspiro[3.4]octan-7-yl]-(1,3-thiazol-5-yl)methanone?

The IUPAC name of [2-(azetidine-1-carbonyl)-5-[5-[(3,4-dichlorophenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2,7-diazaspiro[3.4]octan-7-yl]-(1,3-thiazol-5-yl)methanone (CID 170755764) is [2-(azetidine-1-carbonyl)-5-[5-[(3,4-dichlorophenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2,7-diazaspiro[3.4]octan-7-yl]-(1,3-thiazol-5-yl)methanone.

What is the SMILES notation for [2-(azetidine-1-carbonyl)-5-[5-[(3,4-dichlorophenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2,7-diazaspiro[3.4]octan-7-yl]-(1,3-thiazol-5-yl)methanone?

The canonical SMILES for [2-(azetidine-1-carbonyl)-5-[5-[(3,4-dichlorophenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2,7-diazaspiro[3.4]octan-7-yl]-(1,3-thiazol-5-yl)methanone is O=C(c1cncs1)N1CC(c2nnc(C(F)(F)c3ccc(Cl)c(Cl)c3)o2)C2(C1)CN(C(=O)N1CCC1)C2.

What is the InChIKey of [2-(azetidine-1-carbonyl)-5-[5-[(3,4-dichlorophenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2,7-diazaspiro[3.4]octan-7-yl]-(1,3-thiazol-5-yl)methanone?

The InChIKey is NCYUHHJQIIEQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2F2N6O3S/c24-15-3-2-13(6-16(15)25)23(26,27)20-30-29-18(36-20)14-8-32(19(34)17-7-28-12-37-17)9-22(14)10-33(11-22)21(35)31-4-1-5-31/h2-3,6-7,12,14H,1,4-5,8-11H2.

What are the key properties of [2-(azetidine-1-carbonyl)-5-[5-[(3,4-dichlorophenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2,7-diazaspiro[3.4]octan-7-yl]-(1,3-thiazol-5-yl)methanone?

[2-(azetidine-1-carbonyl)-5-[5-[(3,4-dichlorophenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2,7-diazaspiro[3.4]octan-7-yl]-(1,3-thiazol-5-yl)methanone has a molecular weight of 569.42 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(azetidine-1-carbonyl)-5-[5-[(3,4-dichlorophenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-2,7-diazaspiro[3.4]octan-7-yl]-(1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 170755764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).